CID 60058

Gb-503

Structural Information

Molecular Formula
C12H15ClN2O2
SMILES
CC(=O)N(CC(=O)N(C)C)C1=CC=C(C=C1)Cl
InChI
InChI=1S/C12H15ClN2O2/c1-9(16)15(8-12(17)14(2)3)11-6-4-10(13)5-7-11/h4-7H,8H2,1-3H3
InChIKey
REVQTYIGYPPMAY-UHFFFAOYSA-N
Compound name
2-(N-acetyl-4-chloroanilino)-N,N-dimethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.0822 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.08948 156.5
[M+Na]+ 277.07142 163.2
[M-H]- 253.07492 162.9
[M+NH4]+ 272.11602 175.2
[M+K]+ 293.04536 162.1
[M+H-H2O]+ 237.07946 150.4
[M+HCOO]- 299.08040 177.6
[M+CH3COO]- 313.09605 204.7
[M+Na-2H]- 275.05687 158.6
[M]+ 254.08165 161.3
[M]- 254.08275 161.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.